SCHEMBL20144659

SCHEMBL20144659

CC(C)(C)OC(=O)NC(C/C=C/CCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.55
PPARG P37231 5/20 0.55
CTSS P25774 6/20 0.54
CTSK P43235 6/20 0.54
ACE P12821 2/20 0.54
PPARD Q03181 2/20 0.50
CTSB P07858 2/20 0.50
CTSL P07711 1/20 0.50
ATM Q13315 1/20 0.46
APP P05067 1/20 0.46
IDO1 P14902 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16278567 1.00 PPARA (0.55) PPARAPPARGCTSSCTSKACE
SCHEMBL16278568 1.00 PPARA (0.55) PPARAPPARGCTSSCTSKACE
SCHEMBL16278565 1.00 PPARA (0.55) PPARAPPARGCTSSCTSKACE
SCHEMBL16278800 0.88 PPARA (0.60) PPARAPPARGCTSSCTSKACE
SCHEMBL16278797 0.88 PPARA (0.60) PPARAPPARGCTSSCTSKACE
SCHEMBL16278798 0.88 PPARA (0.60) PPARAPPARGCTSSCTSKACE
SCHEMBL20144678 0.88 PPARA (0.60) PPARAPPARGCTSSCTSKACE
SCHEMBL14746716 0.84 ATM (0.51) PPARAPPARGCTSSCTSKACE
SCHEMBL14746713 0.84 ATM (0.51) PPARAPPARGCTSSCTSKACE
SCHEMBL14746714 0.84 ATM (0.51) PPARAPPARGCTSSCTSKACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751124-B1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NAT RECH SCIENT (FR) 2018-05-16 EP disclosed